6-oxo-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide
Formula:C13H9N4O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-oxo-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide is a drug-like molecule.
| MolName | 6-oxo-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide |
| MolecularFormula | C13H9N4O2F3 |
| Smiles | O=C(C(C=C1)=NNC1=O)N/N=C/c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C13H9F3N4O2/c14-13(15,16)9-4-2-1-3-8(9)7-17-20-12(22)10-5-6-11(21)19-18-10/h1-7H,(H,19,21)(H,20,22) |
| InChIK | OFGWPUQXVHBJPX-UHFFFAOYSA-N |
| TotalMolweight | 310.234 |
| Molweight | 310.234 |
| MonoisotopicMass | 310.06776 |
| CLogP | 1.5441 |
| CLogS | -3.72 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 221.87 |
| Relative PSA | 0.3246 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | -2.7423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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